Task 38620968
| Name | p38_2_A07_A08_r0_2-QUICO_ATM_GAFF2_NAGL_p38_2-3-6-RND4846_0 |
| Workunit | 31572056 |
| Created | 19 Apr 2026, 14:13:54 UTC |
| Sent | 19 Apr 2026, 14:13:57 UTC |
| Report deadline | 24 Apr 2026, 14:13:57 UTC |
| Received | 20 Apr 2026, 11:30:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649774 |
| Run time | 4 hours 11 min |
| CPU time | 4 hours 3 min 26 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 20,852.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.35 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:14:45 (20788): wrapper (7.9.26016): starting
08:14:45 (20788): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A08_0.pdb
QB_A07_A08_0.xml
QB_A07_A08.inpcrd
QB_A07_A08_input.yaml
QB_A07_A08.pdb
QB_A07_A08.prmtop
QB_A07_A08_sys.xml
run.bat
run.sh
08:14:46 (20788): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:14:46 (20788): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
12:25:28 (20788): C:/Windows/system32/cmd.exe exited; CPU time 14606.125000
12:25:28 (20788): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 195653309 bytes.
Dumping objects ->
{3835592} normal block at 0x0000020D41AE1150, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835581} normal block at 0x0000020D3FF75620, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835570} normal block at 0x0000020D3FF750E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835559} normal block at 0x0000020D3FF753F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x0000020D3FF75070, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835517} normal block at 0x0000020D41B567F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835506} normal block at 0x0000020D41B6EEA0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835503} normal block at 0x0000020D3FF6DF30, 8 bytes long.
Data: < .@ > 00 00 2E 40 0D 02 00 00
{3834709} normal block at 0x0000020D41B6F210, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000020D3FF6D4E0, 8 bytes long.
Data: <@Ùõ? > 40 D9 F5 3F 0D 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020D3FF614B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020D3FF62450, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000020D3FF764D0, 16 bytes long.
Data: <øn÷? > F8 6E F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020D3FF75CB0, 16 bytes long.
Data: <Ðn÷? > D0 6E F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020D3FF6FC10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000020D3FF76750, 16 bytes long.
Data: <¨n÷? > A8 6E F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020D3FF75FD0, 16 bytes long.
Data: < n÷? > 80 6E F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020D3FF762F0, 16 bytes long.
Data: <Xn÷? > 58 6E F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020D3FF76110, 16 bytes long.
Data: <0n÷? > 30 6E F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020D3FF75690, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000020D3FF762A0, 16 bytes long.
Data: < ôõ? > 98 F4 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020D3FF6FFD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000020D3FF763E0, 16 bytes long.
Data: <pôõ? > 70 F4 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020D3FF76980, 16 bytes long.
Data: <Hôõ? > 48 F4 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020D3FF76200, 16 bytes long.
Data: < ôõ? > 20 F4 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020D3FF76390, 16 bytes long.
Data: <øóõ? > F8 F3 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020D3FF76160, 16 bytes long.
Data: <Ðóõ? > D0 F3 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020D3FF75F80, 16 bytes long.
Data: <¨óõ? > A8 F3 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020D3FF6FD90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000020D3FF75F30, 16 bytes long.
Data: < óõ? > 80 F3 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020D3FF5F380, 320 bytes long.
Data: <0_÷? ýö? > 30 5F F7 3F 0D 02 00 00 90 FD F6 3F 0D 02 00 00
{274} normal block at 0x0000020D3FF76070, 16 bytes long.
Data: < n÷? > 10 6E F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020D3FF76A70, 16 bytes long.
Data: <èm÷? > E8 6D F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020D3FF700F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000020D3FF76700, 16 bytes long.
Data: <Àm÷? > C0 6D F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020D3FF70090, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000020D3FF75EE0, 16 bytes long.
Data: < m÷? > 08 6D F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020D3FF76840, 16 bytes long.
Data: <àl÷? > E0 6C F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020D3FF75E40, 16 bytes long.
Data: <¸l÷? > B8 6C F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020D3FF76520, 16 bytes long.
Data: < l÷? > 90 6C F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020D3FF761B0, 16 bytes long.
Data: <hl÷? > 68 6C F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020D3FF760C0, 16 bytes long.
Data: <@l÷? > 40 6C F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020D3FF767F0, 16 bytes long.
Data: < P÷? > 00 50 F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020D3FF75000, 40 bytes long.
Data: <ðg÷? ðgµA > F0 67 F7 3F 0D 02 00 00 F0 67 B5 41 0D 02 00 00
{260} normal block at 0x0000020D3FF76340, 16 bytes long.
Data: < l÷? > 20 6C F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020D3FF76020, 16 bytes long.
Data: <øk÷? > F8 6B F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020D3FF6FC70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000020D3FF75E90, 16 bytes long.
Data: <Ðk÷? > D0 6B F7 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020D3FF76BD0, 992 bytes long.
Data: < ^÷? püö? > 90 5E F7 3F 0D 02 00 00 70 FC F6 3F 0D 02 00 00
{92} normal block at 0x0000020D3FF6FF70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000020D3FF6D940, 16 bytes long.
Data: < ðõ? > 10 F0 F5 3F 0D 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000020D3FF5F010, 40 bytes long.
Data: <@Ùö? pÿö? > 40 D9 F6 3F 0D 02 00 00 70 FF F6 3F 0D 02 00 00
{69} normal block at 0x0000020D3FF6DB20, 16 bytes long.
Data: < êé ö > 80 EA E9 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020D3FF6D8A0, 16 bytes long.
Data: <@éé ö > 40 E9 E9 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020D3FF6DD00, 16 bytes long.
Data: <øWæ ö > F8 57 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020D3FF6DCB0, 16 bytes long.
Data: <ØWæ ö > D8 57 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020D3FF6DDA0, 16 bytes long.
Data: <P æ ö > 50 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020D3FF6DD50, 16 bytes long.
Data: <0 æ ö > 30 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020D3FF6E0C0, 16 bytes long.
Data: <à æ ö > E0 02 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020D3FF6D670, 16 bytes long.
Data: < æ ö > 10 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020D3FF6E390, 16 bytes long.
Data: <p æ ö > 70 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020D3FF6DEE0, 16 bytes long.
Data: < Àä ö > 18 C0 E4 11 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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